N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C29H38N2O2 — CID 25307608

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)c1
InChIInChI=1S/C29H38N2O2/c1-22-6-4-7-24(16-22)17-29(32)31(21-28-10-5-15-33-28)20-23-11-13-30(14-12-23)27-18-25-8-2-3-9-26(25)19-27/h2-4,6-9,16,23,27-28H,5,10-15,17-21H2,1H3/t28-/m1/s1
InChIKeyZUSLAKGCMJKJLB-MUUNZHRXSA-N
MW446.64 g/mol
LogP4.42
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 25307608) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID25307608
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)c1
InChIInChI=1S/C29H38N2O2/c1-22-6-4-7-24(16-22)17-29(32)31(21-28-10-5-15-33-28)20-23-11-13-30(14-12-23)27-18-25-8-2-3-9-26(25)19-27/h2-4,6-9,16,23,27-28H,5,10-15,17-21H2,1H3/t28-/m1/s1
InChIKeyZUSLAKGCMJKJLB-MUUNZHRXSA-N
XLogP4.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 24790475
3-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45215439
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 25446634
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25455941
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide
CID 42116943
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 42191308
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 42595950
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97273961
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 97280348
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 42216138
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 42216140
N-{[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-4,4,4-trifluoro-N-(tetrahydro-2-furanylmethyl)butanamide
CID 45176531

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 25307608) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cccc(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)c1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ZUSLAKGCMJKJLB-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-22-6-4-7-24(16-22)17-29(32)31(21-28-10-5-15-33-28)20-23-11-13-30(14-12-23)27-18-25-8-2-3-9-26(25)19-27/h2-4,6-9,16,23,27-28H,5,10-15,17-21H2,1H3/t28-/m1/s1.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 446.64 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 25307608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).